(3R,5S)-3-Hydroxy-1-Methyl-5-(3-Pyridinyl)-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C10H12N2O2
IUPAC Name (3r,5s)-3-hydroxy-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
Molecular Mass 192.214 g·mol−1
Heat of Formation -226.0 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 230.19 Å 3
Surface Area 214.84 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s)-3-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone
  • (3r,5s)-3-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidone
  • (3r,5s)-3-hydroxy-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
  • (3r,5s)-3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
  • (3r,5s)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
  • 2-pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3r,5s)-
CAS Number(s)
  • 108450-02-8
InChIKey XOKCJXZZNAUIQN-DTWKUNHWSA-N
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